Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b95b27101a847b21362b7042be6d799",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.911,
"b": 49.208,
"c": 114.396,
"alpha": 90.00,
"beta": 95.35,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.820,2.250],
"number_observations": 147556,
"number_observations_unique": 42971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations": 14294,
"number_observations_unique": 4115,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(meas)",
"value": 1.765
},
{
"type": "R(pim)",
"value": 0.939
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [113.820,8.720],
"number_observations": 2535,
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 53.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}